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{
"id": "mp-1212347",
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{
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"formula_full": "Na12 Fe4 P8 H2 O34",
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{
"id": "mp-24416",
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"structure_string": "Mn2 H2\n1.0\n1.300911 -2.253245 0.000000\n1.300911 2.253245 0.000000\n0.000000 0.000000 5.102502\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666667 0.333333 0.750000 H\n0.333333 0.666667 0.250000 H\n",
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{
"id": "mp-1100515",
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"structure_string": "Li9 Mn7 O16\n1.0\n5.096922 0.000000 0.000000\n-1.443005 5.887877 0.000000\n-1.788681 -1.031274 9.909840\nLi Mn O\n9 7 16\ndirect\n0.506436 0.877146 0.626255 Li\n0.497253 0.374909 0.624228 Li\n0.493564 0.122854 0.373745 Li\n0.502747 0.625091 0.375772 Li\n0.501929 0.373600 0.122040 Li\n0.487982 0.875555 0.120451 Li\n0.498071 0.626400 0.877960 Li\n0.512018 0.124445 0.879549 Li\n0.000000 0.000000 0.000000 Li\n0.996747 0.749009 0.754001 Mn\n0.000000 0.500000 0.000000 Mn\n0.995752 0.241428 0.754278 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.003253 0.250991 0.245999 Mn\n0.004248 0.758572 0.245722 Mn\n0.220058 0.557022 0.684380 O\n0.233683 0.072779 0.682886 O\n0.229991 0.821807 0.430783 O\n0.232387 0.324554 0.431152 O\n0.228391 0.060669 0.193970 O\n0.234586 0.576394 0.177595 O\n0.226316 0.320963 0.931082 O\n0.214150 0.776301 0.935525 O\n0.770009 0.178193 0.569217 O\n0.767613 0.675446 0.568848 O\n0.779942 0.442978 0.315620 O\n0.766317 0.927221 0.317114 O\n0.773684 0.679037 0.068918 O\n0.785850 0.223699 0.064475 O\n0.771609 0.939331 0.806030 O\n0.765414 0.423606 0.822405 O\n",
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{
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{
"id": "mp-1235130",
"created_at": "2022-09-04T14:39:17.328807Z",
"structure_string": "Li1 Nd2 H6 O6\n1.0\n6.573420 -0.061050 -0.000683\n-3.333730 5.720136 0.009114\n-0.000566 0.005667 3.810534\nLi Nd H O\n1 2 6 6\ndirect\n0.000000 0.000000 0.500000 Li\n0.335106 0.667652 0.260230 Nd\n0.664894 0.332348 0.739770 Nd\n0.892865 0.723490 0.162036 H\n0.834804 0.115249 0.158459 H\n0.266345 0.168042 0.148565 H\n0.107135 0.276510 0.837964 H\n0.165196 0.884751 0.841541 H\n0.733655 0.831958 0.851435 H\n0.918192 0.598174 0.253020 O\n0.682277 0.083976 0.256361 O\n0.391899 0.314560 0.258791 O\n0.081808 0.401826 0.746980 O\n0.317723 0.916024 0.743639 O\n0.608101 0.685440 0.741209 O\n",
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{
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{
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"formula_full": "In6 Pb2",
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{
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"created_at": "2022-09-04T14:39:17.430329Z",
"structure_string": "Mn5 Sb3 O16\n1.0\n6.126158 0.045062 0.056353\n-3.024058 5.238312 0.000373\n0.086037 0.050392 9.106460\nMn Sb O\n5 3 16\ndirect\n0.343513 0.671767 0.494763 Mn\n0.660401 0.830228 0.211915 Mn\n0.683101 0.341470 0.984952 Mn\n0.832135 0.666774 0.708776 Mn\n0.832110 0.165366 0.708784 Mn\n0.159531 0.826324 0.209747 Sb\n0.159571 0.333261 0.209759 Sb\n0.336517 0.168243 0.710549 Sb\n0.173356 0.834049 0.605324 O\n0.028106 0.514054 0.339876 O\n0.309378 0.654718 0.086631 O\n0.014915 0.007477 0.324473 O\n0.994450 0.997221 0.813112 O\n0.173370 0.339369 0.605354 O\n0.466988 0.946873 0.337431 O\n0.466999 0.520137 0.337442 O\n0.337279 0.168657 0.098344 O\n0.678913 0.839477 0.607822 O\n0.529520 0.480741 0.839653 O\n0.529488 0.048665 0.839575 O\n0.672644 0.336344 0.599373 O\n0.835698 0.672133 0.103490 O\n0.946301 0.473141 0.835111 O\n0.835716 0.163713 0.103463 O\n",
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"elements": [
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],
"chemical_system": "Mn-O-Sb",
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"formula_full": "Mn5 Sb3 O16",
"formula_reduced": "Mn5Sb3O16",
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{
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"created_at": "2022-09-04T14:39:17.491466Z",
"structure_string": "Mg6 Bi1 B1 O8\n1.0\n8.949509 0.000000 0.000000\n0.000000 4.449775 0.000000\n0.000000 0.000000 4.449775\nMg Bi B O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.265274 0.000000 0.500000 Mg\n0.734726 0.000000 0.500000 Mg\n0.265274 0.500000 0.000000 Mg\n0.734726 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 B\n0.271484 0.000000 0.000000 O\n0.728516 0.000000 0.000000 O\n0.268852 0.500000 0.500000 O\n0.731148 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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],
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"density": 4.6255517188530275,
"density_atomic": 0.09029104305882492,
"volume": 177.2047310337964,
"volume_molar": 6.669698960146639,
"formula_full": "Mg6 Bi1 B1 O8",
"formula_reduced": "Mg6BiBO8",
"formula_anonymous": "ABC6D8",
"energy": -94.68975215,
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"energy_uncorrected": -89.19375215,
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"updated_at": "2021-11-28T01:34:28.370000Z",
"spacegroup": 123
}
]
}